Basic information
- CAS
861211-34-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CCc1csc(Nc2ccc(Cl)c(Cl)c2)n1- InChIKey
KQYLISUHEDQJSP-UHFFFAOYSA-N- Molecular formula
- C19H13Cl2N3O2S
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- 2-{2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
- English name
- 2-(2-[2-(3,4-Dichloroanilino)-1,3-thiazol-4-yl]ethyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C19H13Cl2N3O2S
- Molecular weight
- 418.3
Names & synonyms
861211-34-92-{2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione2-[2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione2-(2-{2-[(3,4-dichlorophenyl)amino]-1,3-thiazol-4-yl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dioneSCHEMBL23027815AKOS0050869602X-03362-(2-[2-(3,4-Dichloroanilino)-1,3-thiazol-4-yl]ethyl)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 2-[2-[2-[(3,4-dichlorophenyl)amino]-4-thiazolyl]ethyl]-
Database identifiers
- CAS
861211-34-9
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 586.1 · 586.1±60.0 °C(Predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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